5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid

C12H10BrNO4S2 — CID 61401933

IUPAC5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C12H10BrNO4S2/c13-10-4-2-1-3-8(10)6-14-20(17,18)11-5-9(7-19-11)12(15)16/h1-5,7,14H,6H2,(H,15,16)
InChIKeyZXQUJXGSGLTYRR-UHFFFAOYSA-N
MW376.25 g/mol
LogP2.69
Rot. Bonds5

About 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid

5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid (PubChem CID 61401933) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid
PubChem CID61401933
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C12H10BrNO4S2/c13-10-4-2-1-3-8(10)6-14-20(17,18)11-5-9(7-19-11)12(15)16/h1-5,7,14H,6H2,(H,15,16)
InChIKeyZXQUJXGSGLTYRR-UHFFFAOYSA-N
XLogP2.69
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
CID 43242554
5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 82732518
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885
5-[(2-bromo-5-methylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 82705967
4-[(2-bromophenyl)methylsulfamoyl]-5-methylfuran-2-carboxylic acid
CID 62805041
5-[(4-bromo-2,3-dichlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 107787372
5-[(2-bromo-4-chlorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 80970423
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
N-[(2-ethoxyphenyl)methyl]-4-(4-methylpiperidine-1-carbonyl)thiophene-2-sulfonamide
CID 50777735

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid (CID 61401933) is 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NCc2ccccc2Br)c1.
What is the InChIKey of 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is ZXQUJXGSGLTYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c13-10-4-2-1-3-8(10)6-14-20(17,18)11-5-9(7-19-11)12(15)16/h1-5,7,14H,6H2,(H,15,16).
What are the key properties of 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid?
5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 376.25 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 61401933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).